We studied two elementary microstructure evolution events taking place at a multiple-twin triple junction (TJ) in Si by means of molecular dynamics simulations with the Stillinger-Weber empirical potential. Starting from a relaxed configuration, we inserted a fourth grain in the TJ location and determined the critical radius and the instability mode by which the central grain disappears by progressively shrinking. In a second set of simulations, we introduced a microcrack in the grain boundary plane and made it advance towards the TJ under the effect of the external loading. A kind of brittle-ductile transition is observed when the fracture changes from intergranular to intragranular.
All Science Journal Classification (ASJC) codes
- Materials Science(all)
- Condensed Matter Physics
Satta, A., Pisanu, E., Colombo, L., & Cleri, F. (2002). Microstructure evolution at a triple junction in polycrystalline silicon. Journal of Physics Condensed Matter, 14(48), 13003 - 13008. https://doi.org/10.1088/0953-8984/14/48/344